SCHEMBL9138754

SCHEMBL9138754

COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)O)nc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.63
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.49
PPARA Q07869 1/20 0.49
OPRK1 P41145 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9139877 0.92 P4HTM (0.63) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9138404 0.91 MAPT (0.57) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL8869989 0.91 P4HTM (0.59) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL8868352 0.91 P4HTM (0.61) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9140053 0.90 AKR1C3 (0.57) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9143030 0.90 P4HTM (0.60) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9139136 0.89 P4HTM (0.69) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL8868766 0.89 P4HTM (0.59) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9136987 0.89 CA1 (0.62) P4HTMKMT2AMEN1MAPTRAB9A
SCHEMBL9140542 0.89 P4HTM (0.59) P4HTMKMT2AMEN1MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed